SCHEMBL21189353

SCHEMBL21189353

Cc1cccc(COC(=O)N[C@H]2CCOc3c(C(=O)Nc4ccc(F)c(F)c4)cccc32)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TRPV1 Q8NER1 5/20 0.35
TP53 P04637 1/20 0.34
AKR1C3 P42330 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21189351 0.93 KMT2A (0.38) PTGESSMN1; SMN2
SCHEMBL21189253 0.91 PTGES (0.37) PTGESTRPV1TP53AKR1C3RXFP1
SCHEMBL19973466 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL21189330 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL21189264 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL21189326 0.88 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TRPV1TP53
SCHEMBL21189486 0.88 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TRPV1TP53
SCHEMBL21189252 0.87 TRPV1 (0.36) PTGESNPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL21189336 0.86 TRPV1 (0.37) PTGESNPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL21189337 0.85 P2RX7 (0.39) PTGESTRPV1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS PTGES 4518/4885NPC1 983/4885RAB9A 1393/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS PTGES 4518/4885NPC1 983/4885RAB9A 1393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.